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Substance Name: Piperidinium, 1-(2-hydroxycyclohexyl)-1-methyl-4-phenyl-, iodide, (1- alpha(trans),2-beta)-(+-)-
RN: 120522-49-8
InChIKey: GTTJVEOUMVQJGX-OZCCPRHWSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N-O.I

Molecular Weight

  • 401.3252
 
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Names and Synonyms

Synonym

  • (+-)-N-(trans-2-Hydroxycyclohexyl)-N-methyl-4-phenylpiperidinium iodide

Systematic Name

  • Piperidinium, 1-(2-hydroxycyclohexyl)-1-methyl-4-phenyl-, iodide, (1- alpha(trans),2-beta)-(+-)-

Registry Numbers

CAS Registry Number

  • 120522-49-8

System Generated Number

  • 0120522498

Molecular Formulas

Molecular Formula

  • C18-H28-N-O.I

Molecular Formula Fragments

  • C18-H28-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H28NO.HI/c1-19(17-9-5-6-10-18(17)20)13-11-16(12-14-19)15-7-3-2-4-8-15;/h2-4,7-8,16-18,20H,5-6,9-14H2,1H3;1H/q+1;/p-1/t16?,17?,18-,19?;/m0./s1

InChIKey

GTTJVEOUMVQJGX-OZCCPRHWSA-M

Smiles

C[N+]1(CCC(CC1)c2ccccc2)C3CCCC[C@@H]3O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 72241ug/kg (72.241mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1217, 1989.